#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4o n SER 2 N 0.00 -6.18 -3.22 1.61 7.64 -1.25 -4.46 113.62 107.77 1x4o n SER 2 Ca 0.00 1.20 0.04 0.00 1.01 0.00 0.00 58.87 61.12 1x4o n SER 2 Cb 0.00 -3.29 -0.03 0.00 -1.01 0.00 0.00 64.21 59.89 1x4o n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4o s SER 3 N -4.16 -0.46 0.00 6.43 0.15 -1.26 -5.03 113.70 109.37 1x4o s SER 3 Ca 0.00 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.05 1x4o s SER 3 Cb 0.00 1.43 0.00 0.00 -1.71 0.00 0.00 66.02 65.74 1x4o s SER 3 CO 0.00 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1x4o n GLY 4 N 5.23 0.26 0.42 9.45 0.00 -1.26 -5.02 105.19 114.28 1x4o n GLY 4 Ca -0.07 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 1x4o n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x4o h SER 5 N 0.00 -1.79 0.00 1.61 0.87 -2.04 -3.32 113.55 108.88 1x4o h SER 5 Ca 0.00 0.27 -0.14 0.00 -1.23 0.00 0.00 61.79 60.69 1x4o h SER 5 Cb 0.00 0.78 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 1x4o h SER 5 CO 0.00 -0.34 -1.47 -1.20 -0.53 0.00 0.00 176.83 173.29 1x4o n SER 6 N -5.36 1.95 0.00 6.23 7.64 -1.26 -5.01 113.62 117.80 1x4o n SER 6 Ca -0.00 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1x4o n SER 6 Cb 0.33 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 1x4o n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4o n GLY 7 N 1.40 1.27 2.39 0.23 0.00 -1.25 -4.94 105.19 104.30 1x4o n GLY 7 Ca -0.26 0.33 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 1x4o n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x4o n LYS 8 N 0.00 -5.15 -4.33 1.61 4.81 -1.26 -5.07 118.16 108.77 1x4o n LYS 8 Ca 0.00 3.74 -0.18 0.00 -0.87 0.00 0.00 58.31 61.01 1x4o n LYS 8 Cb 0.00 -4.78 -0.10 0.00 0.02 0.00 0.00 35.03 30.18 1x4o n LYS 8 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1x4o s VAL 9 N -0.61 0.43 0.32 3.15 -7.23 -1.26 -5.17 120.40 110.02 1x4o s VAL 9 Ca -0.03 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.21 1x4o s VAL 9 Cb 0.00 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.35 1x4o s VAL 9 CO 0.09 0.00 0.27 -0.44 -0.31 0.00 0.00 175.10 174.71 1x4o s SER 10 N -3.34 5.33 0.64 4.85 0.01 -1.26 -5.06 113.70 114.86 1x4o s SER 10 Ca 0.36 -0.45 -0.13 0.00 1.31 0.00 0.00 55.95 57.04 1x4o s SER 10 Cb 0.06 -1.06 -0.02 0.00 0.21 0.00 0.00 66.02 65.21 1x4o s SER 10 CO 0.15 -0.29 1.05 -2.16 0.41 0.00 0.00 173.24 172.41 1x4o s PRO 11 N -3.96 3.19 0.87 12.44 0.04 -1.26 -4.64 135.00 141.68 1x4o s PRO 11 Ca 0.39 1.07 -0.12 0.00 0.04 0.00 0.00 61.00 62.38 1x4o s PRO 11 Cb -0.06 -2.02 0.12 0.00 0.04 0.00 0.00 34.50 32.57 1x4o s PRO 11 CO 0.26 -0.91 1.12 -1.25 0.04 0.00 0.00 177.00 176.27 1x4o s PRO 12 N -4.53 1.45 -0.16 0.56 0.04 -1.26 -4.99 135.00 126.11 1x4o s PRO 12 Ca 0.61 0.40 -0.15 0.00 0.04 0.00 0.00 61.00 61.90 1x4o s PRO 12 Cb -0.15 -1.87 -0.11 0.00 0.04 0.00 0.00 34.50 32.41 1x4o s PRO 12 CO 0.45 -2.01 0.12 0.93 0.04 0.00 0.00 177.00 176.53 1x4o h GLU 13 N -1.36 0.00 -5.95 4.56 5.08 -1.96 -3.45 114.58 111.49 1x4o h GLU 13 Ca -0.49 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.23 1x4o h GLU 13 Cb 1.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1x4o h GLU 13 CO 0.61 0.49 1.45 -0.25 -1.00 0.00 0.00 179.01 180.32 1x4o n ASP 14 N -4.58 2.38 -0.04 1.42 9.92 -1.26 -4.81 116.55 119.58 1x4o n ASP 14 Ca -0.15 0.32 -0.10 0.00 -0.53 0.00 0.00 54.79 54.33 1x4o n ASP 14 Cb 0.40 -1.34 -0.03 0.00 -0.64 0.00 0.00 41.12 39.50 1x4o n ASP 14 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1x4o h GLU 15 N 13.35 0.18 -1.22 -1.24 5.08 -2.00 -1.00 114.58 127.73 1x4o h GLU 15 Ca -0.30 -0.01 0.35 0.00 -1.00 0.00 0.00 59.36 58.40 1x4o h GLU 15 Cb 1.30 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.46 1x4o h GLU 15 CO 1.02 0.12 0.88 0.93 -1.00 0.00 0.00 179.01 180.95 1x4o h GLU 16 N 0.18 0.00 0.07 2.33 5.08 -2.00 0.16 114.58 120.41 1x4o h GLU 16 Ca 0.08 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1x4o h GLU 16 Cb 0.03 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1x4o h GLU 16 CO -0.06 0.00 -0.03 0.00 -1.00 0.00 0.00 179.01 177.92 1x4o h ALA 17 N 1.39 -0.10 -1.43 3.43 0.00 -1.58 0.46 119.26 121.44 1x4o h ALA 17 Ca 0.58 -0.26 0.41 0.00 0.00 0.00 0.00 54.91 55.64 1x4o h ALA 17 Cb 2.33 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 20.10 1x4o h ALA 17 CO -0.01 -0.14 1.18 -0.22 0.00 0.00 0.00 179.25 180.06 1x4o h LYS 18 N -0.93 0.00 0.00 0.00 3.64 -0.03 1.54 116.57 120.79 1x4o h LYS 18 Ca -0.01 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.17 1x4o h LYS 18 Cb 0.56 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 1x4o h LYS 18 CO 0.02 0.00 -1.16 -1.71 -2.27 0.00 0.00 179.45 174.33 1x4o n ASN 19 N -3.76 1.85 0.12 4.20 2.85 -0.74 -3.35 115.26 116.43 1x4o n ASN 19 Ca 0.32 0.46 -0.13 0.00 -0.11 0.00 0.00 54.58 55.11 1x4o n ASN 19 Cb 1.62 -0.95 -0.06 0.00 1.24 0.00 0.00 39.78 41.63 1x4o n ASN 19 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1x4o h LEU 20 N -1.00 -0.91 -0.10 1.20 3.38 0.22 0.25 115.31 118.35 1x4o h LEU 20 Ca -0.30 0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.80 1x4o h LEU 20 Cb 1.17 0.34 -0.06 0.00 0.09 0.00 0.00 40.66 42.20 1x4o h LEU 20 CO -0.18 -0.41 -0.50 0.00 0.09 0.00 0.00 178.44 177.45 1x4o h ALA 21 N 0.10 -0.87 -0.05 1.53 0.00 0.17 0.34 119.26 120.49 1x4o h ALA 21 Ca 0.03 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1x4o h ALA 21 Cb 0.57 0.96 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1x4o h ALA 21 CO -0.18 -1.04 -0.14 1.49 0.00 0.00 0.00 179.25 179.37 1x4o h GLU 22 N -0.55 -0.14 -0.72 0.00 4.81 -1.49 0.63 114.58 117.12 1x4o h GLU 22 Ca 0.03 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.33 1x4o h GLU 22 Cb 0.63 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.95 1x4o h GLU 22 CO -0.39 -0.09 -0.44 0.87 -0.73 0.00 0.00 179.01 178.24 1x4o h LYS 23 N -0.14 -0.01 -0.87 1.92 1.57 -0.24 1.55 116.57 120.35 1x4o h LYS 23 Ca 0.01 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.87 1x4o h LYS 23 Cb 0.17 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.38 1x4o h LYS 23 CO -0.12 -0.01 -0.53 1.25 -0.57 0.00 0.00 179.45 179.47 1x4o h LEU 24 N -0.01 -1.93 0.43 2.94 7.12 0.14 1.21 115.31 125.20 1x4o h LEU 24 Ca 0.12 0.29 -0.01 0.00 0.13 0.00 0.00 57.88 58.41 1x4o h LEU 24 Cb 0.31 0.85 -0.02 0.00 -0.53 0.00 0.00 40.66 41.27 1x4o h LEU 24 CO -0.69 -0.21 -0.41 0.00 -0.13 0.00 0.00 178.44 177.00 1x4o h ALA 25 N 0.32 -0.91 -1.25 1.25 0.00 0.16 1.04 119.26 119.87 1x4o h ALA 25 Ca 0.14 -0.15 0.37 0.00 0.00 0.00 0.00 54.91 55.27 1x4o h ALA 25 Cb 0.38 0.59 -0.10 0.00 0.00 0.00 0.00 17.79 18.65 1x4o h ALA 25 CO -0.83 -1.05 0.83 0.00 0.00 0.00 0.00 179.25 178.21 1x4o h ARG 26 N -0.85 0.17 0.00 0.00 2.47 0.42 1.53 114.38 118.11 1x4o h ARG 26 Ca -0.04 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1x4o h ARG 26 Cb 0.75 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.03 1x4o h ARG 26 CO -0.06 0.11 -0.05 0.35 0.56 0.00 0.00 179.97 180.89 1x4o h PHE 27 N 0.17 0.00 -1.01 3.04 3.57 0.28 -3.14 116.94 119.86 1x4o h PHE 27 Ca 0.70 0.00 0.22 0.00 3.53 0.00 0.00 57.97 62.42 1x4o h PHE 27 Cb 2.23 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 40.86 1x4o h PHE 27 CO -0.00 0.00 0.61 0.82 -2.23 0.00 0.00 178.31 177.50 1x4o h ILE 28 N -0.79 0.61 0.00 1.41 2.04 0.19 1.47 117.51 122.44 1x4o h ILE 28 Ca 0.00 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1x4o h ILE 28 Cb 0.05 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.03 1x4o h ILE 28 CO 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 178.15 178.23 1x4o h ALA 29 N 1.69 1.84 0.00 1.87 0.00 0.20 0.34 119.26 125.20 1x4o h ALA 29 Ca 0.61 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1x4o h ALA 29 Cb 1.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1x4o h ALA 29 CO -0.42 0.05 0.00 0.22 0.00 0.00 0.00 179.25 179.10 1x4o h ASP 30 N 0.00 0.00 0.00 0.00 1.82 0.21 -3.43 116.42 115.02 1x4o h ASP 30 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1x4o h ASP 30 Cb 0.08 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.09 1x4o h ASP 30 CO 0.01 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.25 1x4o n GLY 31 N 0.63 0.65 0.00 -0.78 0.00 0.12 -5.10 105.19 100.71 1x4o n GLY 31 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1x4o n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4o n GLY 32 N 5.00 -0.96 0.00 -0.02 0.00 -1.12 -4.95 105.19 103.15 1x4o n GLY 32 Ca 0.00 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1x4o n GLY 32 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4o n PRO 33 N 0.00 0.59 -0.12 1.61 -0.04 -1.26 -2.56 135.00 133.22 1x4o n PRO 33 Ca 0.00 0.03 -0.24 0.00 -0.04 0.00 0.00 63.50 63.25 1x4o n PRO 33 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 1x4o n PRO 33 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1x4o n GLU 34 N -1.11 0.57 -0.35 0.54 2.13 -1.26 -4.07 120.64 117.09 1x4o n GLU 34 Ca 0.15 0.41 -0.02 0.00 0.66 0.00 0.00 57.16 58.37 1x4o n GLU 34 Cb 0.12 -1.61 0.11 0.00 0.27 0.00 0.00 31.44 30.33 1x4o n GLU 34 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 1x4o h VAL 35 N -1.00 1.20 0.00 6.31 3.04 -1.89 0.23 116.25 124.13 1x4o h VAL 35 Ca -0.48 -0.42 0.00 0.00 -1.01 0.00 0.00 66.70 64.79 1x4o h VAL 35 Cb 1.40 -0.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 1x4o h VAL 35 CO -0.29 0.22 0.00 -1.84 -1.01 0.00 0.00 177.57 174.65 1x4o n GLU 36 N -4.46 0.11 -0.09 4.17 0.28 -1.06 0.20 120.64 119.79 1x4o n GLU 36 Ca 0.12 0.58 -0.14 0.00 -0.16 0.00 0.00 57.16 57.55 1x4o n GLU 36 Cb 0.06 -1.84 -0.06 0.00 1.43 0.00 0.00 31.44 31.02 1x4o n GLU 36 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1x4o n THR 37 N -2.07 1.48 -0.05 3.84 -1.04 0.70 -3.35 114.28 113.79 1x4o n THR 37 Ca -0.01 0.05 -0.14 0.00 -2.04 0.00 0.00 64.05 61.92 1x4o n THR 37 Cb 0.05 -2.21 -0.08 0.00 -1.82 0.00 0.00 70.33 66.28 1x4o n THR 37 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1x4o h ILE 38 N -1.00 1.38 -0.70 12.58 5.03 -0.94 0.35 117.51 134.22 1x4o h ILE 38 Ca -0.21 -1.45 0.07 0.00 -0.12 0.00 0.00 64.86 63.15 1x4o h ILE 38 Cb 0.98 2.05 -0.06 0.00 -3.03 0.00 0.00 36.82 36.76 1x4o h ILE 38 CO -0.12 0.42 0.38 0.00 -0.68 0.00 0.00 178.15 178.15 1x4o h ALA 39 N 0.54 0.95 0.20 1.87 0.00 0.21 -0.31 119.26 122.71 1x4o h ALA 39 Ca 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1x4o h ALA 39 Cb 0.77 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1x4o h ALA 39 CO 0.05 0.03 -0.10 -0.07 0.00 0.00 0.00 179.25 179.16 1x4o h LEU 40 N 0.68 -0.23 -1.88 0.00 3.38 -1.54 -1.00 115.31 114.71 1x4o h LEU 40 Ca 0.32 -0.29 0.42 0.00 0.09 0.00 0.00 57.88 58.43 1x4o h LEU 40 Cb 0.25 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 1x4o h LEU 40 CO -0.21 0.23 1.03 1.56 0.09 0.00 0.00 178.44 181.13 1x4o h GLN 41 N -0.76 0.04 0.00 1.13 4.20 0.11 0.85 115.11 120.68 1x4o h GLN 41 Ca -0.03 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1x4o h GLN 41 Cb 0.51 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1x4o h GLN 41 CO 0.05 0.03 -0.00 -0.91 -0.67 0.00 0.00 178.83 177.32 1x4o h ASN 42 N 0.04 -0.00 -0.97 1.46 2.35 -0.89 -3.30 115.58 114.26 1x4o h ASN 42 Ca 0.72 -0.35 0.24 0.00 -0.55 0.00 0.00 56.30 56.36 1x4o h ASN 42 Cb 2.74 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 41.03 1x4o h ASN 42 CO -0.08 0.67 0.64 0.78 -1.65 0.00 0.00 177.43 177.80 1x4o h ASN 43 N -1.00 0.36 -0.96 5.81 -0.26 0.68 0.33 115.58 120.54 1x4o h ASN 43 Ca -0.00 0.05 0.22 0.00 -0.56 0.00 0.00 56.30 56.01 1x4o h ASN 43 Cb 0.35 -0.01 -0.12 0.00 -1.06 0.00 0.00 38.32 37.48 1x4o h ASN 43 CO 0.00 0.11 0.52 -0.09 -1.06 0.00 0.00 177.43 176.92 1x4o h ARG 44 N 0.35 0.55 -0.03 0.81 2.43 0.48 -0.54 114.38 118.43 1x4o h ARG 44 Ca 0.52 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.60 1x4o h ARG 44 Cb 1.40 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1x4o h ARG 44 CO -0.19 0.37 -0.18 0.93 -1.51 0.00 0.00 179.97 179.38 1x4o h GLU 45 N 0.57 0.18 -6.95 0.20 5.08 -0.48 -3.44 114.58 109.74 1x4o h GLU 45 Ca 0.59 -0.15 -0.52 0.00 -1.00 0.00 0.00 59.36 58.28 1x4o h GLU 45 Cb 1.05 0.03 0.07 0.00 0.50 0.00 0.00 28.75 30.41 1x4o h GLU 45 CO -0.46 0.81 0.56 -0.80 -1.00 0.00 0.00 179.01 178.12 1x4o s ASN 46 N -6.17 6.36 -0.11 1.42 0.01 -0.21 -4.94 114.94 111.29 1x4o s ASN 46 Ca -0.16 2.51 0.09 0.00 -0.71 0.00 0.00 52.86 54.60 1x4o s ASN 46 Cb 0.02 -2.63 -0.24 0.00 0.41 0.00 0.00 41.25 38.82 1x4o s ASN 46 CO 0.73 -0.80 0.40 1.67 -1.51 0.00 0.00 177.10 177.59 1x4o n GLN 47 N 0.04 0.67 -0.19 -0.60 7.27 -1.26 -4.23 117.38 119.08 1x4o n GLN 47 Ca 0.04 0.21 0.00 0.00 0.07 0.00 0.00 57.00 57.32 1x4o n GLN 47 Cb 0.45 -1.69 0.09 0.00 2.41 0.00 0.00 30.24 31.49 1x4o n GLN 47 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1x4o h ALA 48 N 0.75 0.55 0.00 1.69 0.00 -1.92 -2.84 119.26 117.49 1x4o h ALA 48 Ca -0.40 0.19 -0.52 0.00 0.00 0.00 0.00 54.91 54.18 1x4o h ALA 48 Cb 2.06 0.33 0.03 0.00 0.00 0.00 0.00 17.79 20.22 1x4o h ALA 48 CO 0.06 -0.40 2.54 1.19 0.00 0.00 0.00 179.25 182.64 1x4o n PHE 49 N -5.29 1.73 -0.07 0.00 3.72 -1.26 -4.24 117.46 112.05 1x4o n PHE 49 Ca 0.08 -1.98 -0.11 0.00 -0.05 0.00 0.00 57.45 55.39 1x4o n PHE 49 Cb 0.33 -1.76 -0.15 0.00 -0.94 0.00 0.00 39.48 36.97 1x4o n PHE 49 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1x4o n SER 50 N 5.70 0.62 0.21 4.37 3.41 -1.07 -4.06 113.62 122.79 1x4o n SER 50 Ca 0.48 0.16 0.13 0.00 -0.26 0.00 0.00 58.87 59.38 1x4o n SER 50 Cb 0.27 0.38 0.71 0.00 -0.26 0.00 0.00 64.21 65.30 1x4o n SER 50 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1x4o h PHE 51 N 0.00 0.00 -0.14 7.33 -5.15 -1.83 0.21 116.94 117.37 1x4o h PHE 51 Ca -0.45 0.00 -0.20 0.00 -0.20 0.00 0.00 57.97 57.12 1x4o h PHE 51 Cb 2.12 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.29 1x4o h PHE 51 CO 0.01 0.00 -0.71 -0.07 -2.00 0.00 0.00 178.31 175.54 1x4o h LEU 52 N 0.00 0.75 0.00 2.10 3.38 -1.89 -3.03 115.31 116.62 1x4o h LEU 52 Ca 0.00 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1x4o h LEU 52 Cb 0.10 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1x4o h LEU 52 CO 0.00 1.24 -0.50 -1.22 0.09 0.00 0.00 178.44 178.05 1x4o n TYR 53 N -3.91 0.57 -1.50 1.13 4.01 0.30 -4.84 117.16 112.91 1x4o n TYR 53 Ca -0.06 0.25 -0.47 0.00 -0.16 0.00 0.00 57.90 57.47 1x4o n TYR 53 Cb 0.70 -0.60 -0.06 0.00 -0.31 0.00 0.00 39.34 39.07 1x4o n TYR 53 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1x4o n ASP 54 N -4.11 2.36 -0.03 7.72 2.03 0.48 -4.82 116.55 120.18 1x4o n ASP 54 Ca -0.07 0.24 -0.13 0.00 0.52 0.00 0.00 54.79 55.35 1x4o n ASP 54 Cb 0.26 -1.36 -0.11 0.00 -0.72 0.00 0.00 41.12 39.19 1x4o n ASP 54 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1x4o h PRO 55 N 13.92 -0.02 -0.69 -0.67 0.13 -1.88 -3.14 132.00 139.65 1x4o h PRO 55 Ca -0.29 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.04 1x4o h PRO 55 Cb 1.29 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 1x4o h PRO 55 CO 1.04 0.69 0.74 -0.91 -0.23 0.00 0.00 178.00 179.33 1x4o h ASN 56 N -0.77 0.00 -2.98 1.44 2.35 -1.97 -3.38 115.58 110.28 1x4o h ASN 56 Ca -0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 1x4o h ASN 56 Cb 0.72 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.05 1x4o h ASN 56 CO 0.00 0.00 1.13 -0.55 -1.65 0.00 0.00 177.43 176.37 1x4o s SER 57 N -4.63 6.24 0.57 5.81 0.15 -1.19 -4.83 113.70 115.82 1x4o s SER 57 Ca -0.04 1.16 0.43 0.00 0.70 0.00 0.00 55.95 58.21 1x4o s SER 57 Cb 0.16 -2.53 1.56 0.00 -1.71 0.00 0.00 66.02 63.49 1x4o s SER 57 CO 0.54 -1.45 1.58 1.56 1.20 0.00 0.00 173.24 176.67 1x4o h GLN 58 N 11.23 0.00 -0.72 5.44 4.20 -1.87 1.43 115.11 134.82 1x4o h GLN 58 Ca -0.30 0.00 0.18 0.00 0.06 0.00 0.00 58.65 58.59 1x4o h GLN 58 Cb 1.13 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.87 1x4o h GLN 58 CO 1.05 0.00 0.50 0.78 -0.67 0.00 0.00 178.83 180.48 1x4o h GLY 59 N 0.00 0.31 0.23 3.46 0.00 -1.87 0.09 103.07 105.29 1x4o h GLY 59 Ca 0.77 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 48.02 1x4o h GLY 59 CO -0.01 0.02 -0.11 -1.82 0.00 0.00 0.00 176.54 174.62 1x4o h TYR 60 N 0.17 -0.28 -0.62 5.60 3.20 0.21 -1.83 116.97 123.42 1x4o h TYR 60 Ca 0.35 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.33 1x4o h TYR 60 Cb 1.13 0.09 -0.12 0.00 1.54 0.00 0.00 36.73 39.37 1x4o h TYR 60 CO -0.00 -0.18 -0.25 0.00 -1.64 0.00 0.00 178.16 176.09 1x4o h ARG 61 N -0.90 -0.09 -0.96 1.82 3.08 -1.54 1.10 114.38 116.89 1x4o h ARG 61 Ca -0.03 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1x4o h ARG 61 Cb 0.24 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.26 1x4o h ARG 61 CO 0.05 -0.06 0.63 -0.92 -1.07 0.00 0.00 179.97 178.61 1x4o h TYR 62 N -0.09 1.22 -0.15 3.04 5.03 -1.11 -1.47 116.97 123.44 1x4o h TYR 62 Ca 0.27 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.57 1x4o h TYR 62 Cb 0.52 -0.41 -0.00 0.00 1.55 0.00 0.00 36.73 38.39 1x4o h TYR 62 CO -0.58 0.77 -0.04 -0.92 -1.32 0.00 0.00 178.16 176.07 1x4o h TYR 63 N 1.31 0.34 -0.51 -3.82 5.03 0.45 -2.65 116.97 117.12 1x4o h TYR 63 Ca 0.35 -0.07 0.08 0.00 2.58 0.00 0.00 58.73 61.67 1x4o h TYR 63 Cb -0.14 -0.08 -0.06 0.00 1.55 0.00 0.00 36.73 37.99 1x4o h TYR 63 CO 0.00 0.59 0.15 0.00 -1.32 0.00 0.00 178.16 177.57 1x4o h ARG 64 N -0.01 0.30 0.00 1.82 2.47 0.14 -0.83 114.38 118.27 1x4o h ARG 64 Ca 0.04 -0.02 0.03 0.00 -1.26 0.00 0.00 59.98 58.77 1x4o h ARG 64 Cb 0.48 -0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.69 1x4o h ARG 64 CO 0.02 0.20 -0.23 0.37 0.56 0.00 0.00 179.97 180.88 1x4o h GLN 65 N 0.31 -0.35 -0.85 0.04 4.15 -1.22 -0.93 115.11 116.24 1x4o h GLN 65 Ca 0.25 0.02 0.15 0.00 0.77 0.00 0.00 58.65 59.85 1x4o h GLN 65 Cb 0.31 0.08 -0.10 0.00 0.21 0.00 0.00 27.48 27.98 1x4o h GLN 65 CO -0.29 -0.23 0.43 0.87 -1.93 0.00 0.00 178.83 177.68 1x4o h LYS 66 N -0.36 0.58 -0.26 1.69 1.79 -1.02 1.52 116.57 120.51 1x4o h LYS 66 Ca 0.06 -0.03 0.05 0.00 -2.18 0.00 0.00 60.65 58.55 1x4o h LYS 66 Cb 0.44 -0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 30.92 1x4o h LYS 66 CO -0.21 0.38 -0.05 1.25 -1.08 0.00 0.00 179.45 179.74 1x4o h LEU 67 N 0.59 -0.22 -0.32 2.94 5.85 0.09 0.28 115.31 124.52 1x4o h LEU 67 Ca 0.47 0.07 -0.14 0.00 0.84 0.00 0.00 57.88 59.13 1x4o h LEU 67 Cb 0.70 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 1x4o h LEU 67 CO -0.38 -0.07 -0.33 -0.78 -0.34 0.00 0.00 178.44 176.54 1x4o h ASP 68 N 0.01 0.85 -0.04 1.25 3.58 0.26 0.50 116.42 122.83 1x4o h ASP 68 Ca 0.12 -0.47 0.03 0.00 0.42 0.00 0.00 57.03 57.14 1x4o h ASP 68 Cb 0.19 -0.24 -0.06 0.00 1.72 0.00 0.00 39.33 40.94 1x4o h ASP 68 CO -0.26 1.15 -0.41 -0.08 -2.88 0.00 0.00 179.24 176.76 1x4o h GLU 69 N 0.57 -0.51 -0.33 0.28 4.57 0.28 -2.44 114.58 116.99 1x4o h GLU 69 Ca 0.05 0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.21 1x4o h GLU 69 Cb 0.91 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 1x4o h GLU 69 CO 0.08 -0.34 -0.01 0.74 -1.18 0.00 0.00 179.01 178.30 1x4o h PHE 70 N -0.53 0.65 0.00 0.92 0.04 -0.49 -3.26 116.94 114.26 1x4o h PHE 70 Ca 0.06 -0.12 -0.58 0.00 2.80 0.00 0.00 57.97 60.13 1x4o h PHE 70 Cb 0.63 -0.17 0.02 0.00 2.20 0.00 0.00 35.95 38.64 1x4o h PHE 70 CO -0.43 0.72 3.35 0.54 -0.60 0.00 0.00 178.31 181.89 1x4o n ARG 71 N -4.51 3.04 0.00 1.51 1.74 0.16 -4.74 116.66 113.86 1x4o n ARG 71 Ca -0.02 -1.98 0.00 0.00 -0.77 0.00 0.00 57.85 55.08 1x4o n ARG 71 Cb 0.28 -2.73 0.00 0.00 -1.02 0.00 0.00 32.46 28.99 1x4o n ARG 71 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1x4o n LYS 72 N 4.11 0.00 -1.74 5.56 4.01 -1.20 -4.03 118.16 124.88 1x4o n LYS 72 Ca 0.65 0.91 -0.43 0.00 -0.51 0.00 0.00 58.31 58.93 1x4o n LYS 72 Cb 0.22 -1.43 -0.03 0.00 -0.51 0.00 0.00 35.03 33.28 1x4o n LYS 72 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1x4o s SER 73 N -2.96 5.98 0.06 4.39 0.01 -1.26 -4.96 113.70 114.96 1x4o s SER 73 Ca 0.00 2.08 0.01 0.00 1.31 0.00 0.00 55.95 59.35 1x4o s SER 73 Cb 0.00 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 1x4o s SER 73 CO 0.00 -1.52 -0.05 -0.83 0.41 0.00 0.00 173.24 171.25 1x4o s GLY 74 N 6.16 0.56 -1.17 3.44 0.00 -1.26 -5.05 107.32 110.01 1x4o s GLY 74 Ca 0.90 -1.12 -0.13 0.00 0.00 0.00 0.00 44.72 44.38 1x4o s GLY 74 CO 0.36 -1.21 2.29 -1.55 0.00 0.00 0.00 173.10 172.99 1x4o n PRO 75 N 0.45 2.49 -2.80 2.90 -0.04 -1.26 -4.85 135.00 131.89 1x4o n PRO 75 Ca -0.16 -1.98 -0.43 0.00 -0.04 0.00 0.00 63.50 60.90 1x4o n PRO 75 Cb 0.59 -2.83 -0.03 0.00 -0.04 0.00 0.00 33.50 31.19 1x4o n PRO 75 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x4o s SER 76 N 3.47 6.46 0.07 3.54 1.04 -1.26 -3.95 113.70 123.06 1x4o s SER 76 Ca 0.53 -1.55 -0.30 0.00 0.48 0.00 0.00 55.95 55.10 1x4o s SER 76 Cb 0.14 -2.45 -0.05 0.00 0.10 0.00 0.00 66.02 63.76 1x4o s SER 76 CO -0.01 -1.31 0.98 -0.94 0.98 0.00 0.00 173.24 172.93 1x4o s SER 77 N 3.97 7.43 0.00 7.02 1.04 -1.26 -4.98 113.70 126.92 1x4o s SER 77 Ca 0.33 1.75 0.00 0.00 0.48 0.00 0.00 55.95 58.52 1x4o s SER 77 Cb -0.07 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1x4o s SER 77 CO -0.03 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.64